1-[(2S)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C15H20BrFN3O2+ MolecularWeight: 373.240603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)F)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C15H19BrFN3O2/c1-9(20-6-4-10(5-7-20)14(18)21)15(22)19-13-3-2-11(16)8-12(13)17/h2-3,8-10H,4-7H2,1H3,(H2,18,21)(H,19,22)/p+1/t9-/m0/s1